SCHEMBL8776323

SCHEMBL8776323

C/C(=C\c1ccc(C(O)c2ccc3c(c2)C(C)(C)CCS3)cc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 16/20 0.57
RARB P10826 16/20 0.57
RARG P13631 16/20 0.57
RXRA P19793 6/20 0.54
CYP26A1 O43174 2/20 0.39
CYP3A4 P08684 2/20 0.39
AKR1C3 P42330 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
GMNN O75496 1/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
POLB P06746 1/20 0.37
CYP2D6 P10635 1/20 0.37
NFKB1 P19838 1/20 0.37
CYP2C19 P33261 1/20 0.37
THPO P40225 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8776329 1.00 RARA (0.57) RARARARBRARGRXRACYP26A1
SCHEMBL10565186 0.86 RARA (0.49) RARARARBRARGRXRACYP26A1
SCHEMBL10565864 0.85 RARA (0.51) RARARARBRARGRXRACYP26A1
SCHEMBL10356206 0.84 RXRA (0.64) RARARARBRARGRXRACYP26A1
SCHEMBL8458475 0.82 RXRA (0.68) RARARARBRARGRXRACYP26A1
SCHEMBL10565654 0.76 RXRA (0.51) RARARARBRARGRXRACYP26A1
SCHEMBL10565189 0.74 RARA (0.49) RARARARBRARGRXRACYP26A1
SCHEMBL10557217 0.73 RARA (0.45) RARARARBRARGRXRACYP26A1
SCHEMBL3316404 0.73 RARB (1.00) RARARARBRARGRXRACYP26A1
SCHEMBL3316409 0.73 RARB (1.00) RARARARBRARGRXRACYP26A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0808159-A1 USE OR RETINOIDS TO LOWER PLASMA LEVELS OF LIPOPROTEIN (a) WARNER-LAMBERT COMPANY (US) 1997-11-26 EP disclosed
WO-1996024344-A1 USE OF RETINOIDS TO LOWER PLASMA LEVELS OF LIPOPROTEIN (a) WARNER-LAMBERT COMPANY (US) 1996-08-15 WO disclosed
US-5489611-A ADMINISTERING A RETINOID COMPOUND WARNER-LAMBERT COMPANY (US) 1996-02-06 US disclosed